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Substance Name: Okadaic acid
RN: 78111-17-8
UNII: 1W21G5Q4N2
InChIKey: QNDVLZJODHBUFM-OJJKZNIHSA-N

Note

  • A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. (Thromb Res 1992;67(4):345-54 & Cancer Res 1993;53(2):239-41)

Molecular Formula

  • C44-H68-O13

Molecular Weight

  • 805.008
 

Classification Codes

  • Carcinogens
  • Enzyme Inhibitors
  • Ionophores
  • Membrane Transport Modulators
  • Mutation Data
  • Natural Product
  • Noxae
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Okadaic acid

MeSH Heading

  • Okadaic acid

Synonyms

  • 9,10-Deepithio-9,10-didehydroacanthifolicin
  • CCRIS 3329
  • HSDB 7243
  • Okadaic acid
  • UNII-1W21G5Q4N2

Systematic Names

  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-
  • Okadaic acid

Registry Numbers

CAS Registry Number

  • 78111-17-8

FDA UNII

  • 1W21G5Q4N2

System Generated Number

  • 0078111178

Structure Descriptors

InChI

1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35?,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1

InChIKey

QNDVLZJODHBUFM-OJJKZNIHSA-N

Smiles

O1[C@]2(O[C@@H](CC[C@H]2O)C[C@@](C(O)=O)(C)O)C=C(C)C[C@H]1[C@@H](\C=C\[C@@H]1O[C@@]2(O[C@@H]3[C@H](O[C@H]([C@H](C[C@@H]([C@H]4O[C@]5(CC[C@H]4C)CCCCO5)C)O)C([C@H]3O)=C)CC2)CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 192ug/kg (0.192mg/kg)   Journal of the American Chemical Society. Vol. 103, Pg. 2469, 1981.